(3R)-3-[(1S)-1-(2,6-dichlorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine

C15H21Cl2NO2 — CID 66860095

IUPAC(3R)-3-[(1S)-1-(2,6-dichlorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine
SMILESCC(C)OC[C@@H](Oc1c(Cl)cccc1Cl)[C@@H]1CCNC1
InChIInChI=1S/C15H21Cl2NO2/c1-10(2)19-9-14(11-6-7-18-8-11)20-15-12(16)4-3-5-13(15)17/h3-5,10-11,14,18H,6-9H2,1-2H3/t11-,14-/m1/s1
InChIKeyVHMFBAMJZFWLFT-BXUZGUMPSA-N
MW318.24 g/mol
LogP3.78
Rot. Bonds6

About (3R)-3-[(1S)-1-(2,6-dichlorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine

(3R)-3-[(1S)-1-(2,6-dichlorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine (PubChem CID 66860095) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is (3R)-3-[(1S)-1-(2,6-dichlorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(1S)-1-(2,6-dichlorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine
PubChem CID66860095
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name(3R)-3-[(1S)-1-(2,6-dichlorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine
SMILESCC(C)OC[C@@H](Oc1c(Cl)cccc1Cl)[C@@H]1CCNC1
InChIInChI=1S/C15H21Cl2NO2/c1-10(2)19-9-14(11-6-7-18-8-11)20-15-12(16)4-3-5-13(15)17/h3-5,10-11,14,18H,6-9H2,1-2H3/t11-,14-/m1/s1
InChIKeyVHMFBAMJZFWLFT-BXUZGUMPSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S)-1-(2,6-dichlorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine?
The IUPAC name of (3R)-3-[(1S)-1-(2,6-dichlorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine (CID 66860095) is (3R)-3-[(1S)-1-(2,6-dichlorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[(1S)-1-(2,6-dichlorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine?
The canonical SMILES for (3R)-3-[(1S)-1-(2,6-dichlorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine is CC(C)OC[C@@H](Oc1c(Cl)cccc1Cl)[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-[(1S)-1-(2,6-dichlorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine?
The InChIKey is VHMFBAMJZFWLFT-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-10(2)19-9-14(11-6-7-18-8-11)20-15-12(16)4-3-5-13(15)17/h3-5,10-11,14,18H,6-9H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of (3R)-3-[(1S)-1-(2,6-dichlorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine?
(3R)-3-[(1S)-1-(2,6-dichlorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine has a molecular weight of 318.24 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S)-1-(2,6-dichlorophenoxy)-2-propan-2-yloxyethyl]pyrrolidine is sourced from PubChem (CID 66860095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).